4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine

C12H19N3O2S — CID 90245389

IUPAC4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
SMILESCc1ccnc(NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C12H19N3O2S/c1-10-3-6-13-12(9-10)14-11-4-7-15(8-5-11)18(2,16)17/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,13,14)
InChIKeyOIFVPXWAXDMMAZ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.23
Rot. Bonds3

About 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine

4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine (PubChem CID 90245389) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
PubChem CID90245389
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
SMILESCc1ccnc(NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C12H19N3O2S/c1-10-3-6-13-12(9-10)14-11-4-7-15(8-5-11)18(2,16)17/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,13,14)
InChIKeyOIFVPXWAXDMMAZ-UHFFFAOYSA-N
XLogP1.23
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-methylpyridin-2-amine;ethane
CID 170575903
4-[(4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 58548584
2-[4-[(4-methyl-2-pyridinyl)amino]piperidin-1-yl]acetonitrile
CID 63626089
ethane;N-(4-methylphenyl)-1-methylsulfonylpiperidin-4-amine
CID 144986439
4-methyl-1-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperidin-4-ol
CID 172600965
5-(4,4-difluoropiperidin-1-yl)-N-(1-methylsulfonylpiperidin-4-yl)-2,6-naphthyridin-3-amine
CID 172600381
4-methyl-N-[(3R)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71638526
7-fluoro-N-(1-methylsulfonylpiperidin-4-yl)quinolin-2-amine
CID 71871267
N-(3,3-dimethylcyclobutyl)-4-methylpyridin-2-amine
CID 131047920
2-methyl-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 43628754
2-[4-[7-[(1-methylsulfonylpiperidin-4-yl)amino]-2,6-naphthyridin-1-yl]piperazin-1-yl]ethanol
CID 172600695
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
The IUPAC name of 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine (CID 90245389) is 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine is Cc1ccnc(NC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
The InChIKey is OIFVPXWAXDMMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-10-3-6-13-12(9-10)14-11-4-7-15(8-5-11)18(2,16)17/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine?
4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine has a molecular weight of 269.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine is sourced from PubChem (CID 90245389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).